2-[2-(1-azanyl-2-oxidanyl-propyl)-4-[(4-fluoranyl-7aH-indol-3-yl)methyl]-5-oxidanyl-imidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-(1-azanyl-2-oxidanyl-propyl)-4-[(4-fluoranyl-7aH-indol-3-yl)methyl]-5-oxidanyl-imidazol-1-yl]ethanoic acid Openeye Name: 2-[2-(1-amino-2-hydroxy-propyl)-4-[(4-fluoro-7aH-indol-3-yl)methyl]-5-hydroxy-imidazol-1-yl]acetic acid CAS Name: 2-[2-(1-amino-2-hydroxypropyl)-4-[(4-fluoro-7aH-indol-3-yl)methyl]-5-hydroxy-1-imidazolyl]acetic acid IUPAC Name: 2-[2-(1-amino-2-hydroxypropyl)-4-[(4-fluoro-7aH-indol-3-yl)methyl]-5-hydroxyimidazol-1-yl]acetic acid Traditional Name: 2-[2-(1-amino-2-hydroxy-propyl)-4-[(4-fluoro-7aH-indol-3-yl)methyl]-5-hydroxy-imidazol-1-yl]acetic acid Formula: C17H19FN4O4 MolecularWeight: 362.355563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=NC(=C(N1CC(=O)O)O)CC2=C3C(C=CC=C3F)N=C2)N)O

Isomeric SMILES

CC(C(C1=NC(=C(N1CC(=O)O)O)CC2=C3C(C=CC=C3F)N=C2)N)O

InChI

InChI=1S/C17H19FN4O4/c1-8(23)15(19)16-21-12(17(26)22(16)7-13(24)25)5-9-6-20-11-4-2-3-10(18)14(9)11/h2-4,6,8,11,15,23,26H,5,7,19H2,1H3,(H,24,25)